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Modelling of Thermodynamic Pressure – Composition – Temperature Relationships in the Systems of Metallic Hydride Forming Materials with Gaseous Hydrogen Using C++ Software

Mapula Lucey Moropeng ORCID logo, Andrei Kolesnikov ORCID logo, Mykhaylo Lototskyy and Avhafunani Mavhungu


In this paper, the solution of the Lacher model describing the relationship between the Pressure – Composition, and Temperature (PCT diagrams) of AB5 type metal-hydrides (LaNi4.8Sn0.2, LmNi4.91Sn0.15, LaNi4.5Al0.5) for hydrogen storage using C ++ platform, with the help of a numerical method of nonlinear equation, Newton-Raphson method is presented. This study focuses on the development of a C ++ code to describe the iteration of Newton-Raphson for application in Hydrogen to Metal-Hydride systems.


This work received a financial support from the National Research Foundation (NRF), Thuthuka Grant, and Grant number: TTK150611119278. The authors gratefully acknowledge the Department of Chemical, Metallurgical and Materials Engineering of the Tshwane University of Technology for hosting this project, and the HYSA Systems from the University of the Western Cape (DST-funded project KP3-S02) for their contribution.

A Appendix 1


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Received: 2018-08-29
Revised: 2019-01-18
Accepted: 2019-01-18
Published Online: 2019-02-23

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